2023 Denovo tutorial 2 with PDBID 3WZE
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Revision as of 16:44, 18 March 2023 by Stonybrook (talk | contribs)
Contents
Introduction
This tutorial is a continuation of the virtual screening tutorial. In this tutorial, we'll continue to work with the receptor and ligand in PDB 3WZE, and we'll attempt to generate new ligands for the receptor using three kinds of de novo design: de novo refinement, focused de novo design, and generic de novo design.
Directories
Make a new directory for de novo refinement:
mkdir 009_denovo
